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Chemical ID: 7136820
Chemical ID:
7136820
Name [?]:
5-benzylidene-2-(2-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C16H12N2O2S/c19-13-9-5-4-8-12(13)17-16-18-15(20)14(21-16)10-11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,3,5,16,19,7,4,15,20,8,9,12,14,11,21,10,13/E:(2,3)(6,7)/rA:21nCCCCCCCCCONCSNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O2S |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68135 |
Area: | 485.058 |
Solvation: | -2.4451 |
Coulombic: | -47.3866 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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